N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide

C13H19N3O3S — CID 104773820

IUPACN-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H19N3O3S/c1-9(13(17)14-2)16-20(18,19)12-7-3-6-11-10(12)5-4-8-15-11/h3,6-7,9,15-16H,4-5,8H2,1-2H3,(H,14,17)
InChIKeyGAPXGQKQFNMOHF-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.46
Rot. Bonds4

About N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide

N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide (PubChem CID 104773820) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide
PubChem CID104773820
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H19N3O3S/c1-9(13(17)14-2)16-20(18,19)12-7-3-6-11-10(12)5-4-8-15-11/h3,6-7,9,15-16H,4-5,8H2,1-2H3,(H,14,17)
InChIKeyGAPXGQKQFNMOHF-UHFFFAOYSA-N
XLogP0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide?
The IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide (CID 104773820) is N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide.
What is the SMILES notation for N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide?
The canonical SMILES for N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide is CNC(=O)C(C)NS(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide?
The InChIKey is GAPXGQKQFNMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(13(17)14-2)16-20(18,19)12-7-3-6-11-10(12)5-4-8-15-11/h3,6-7,9,15-16H,4-5,8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide?
N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide is sourced from PubChem (CID 104773820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).